1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one

C10H9BrF2O2 — CID 131394364

IUPAC1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one
SMILESCC(=O)C(Br)c1cc(C(F)F)ccc1O
InChIInChI=1S/C10H9BrF2O2/c1-5(14)9(11)7-4-6(10(12)13)2-3-8(7)15/h2-4,9-10,15H,1H3
InChIKeySWVIBRRWXWVASL-UHFFFAOYSA-N
MW279.08 g/mol
LogP3.35
Rot. Bonds3

About 1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one

1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one (PubChem CID 131394364) has the molecular formula C10H9BrF2O2 and a molecular weight of 279.08 g/mol. Its IUPAC name is 1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one.

Molecular Properties

Compound Name1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one
PubChem CID131394364
Molecular FormulaC10H9BrF2O2
Molecular Weight279.08 g/mol
Exact Mass277.98
IUPAC Name1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one
SMILESCC(=O)C(Br)c1cc(C(F)F)ccc1O
InChIInChI=1S/C10H9BrF2O2/c1-5(14)9(11)7-4-6(10(12)13)2-3-8(7)15/h2-4,9-10,15H,1H3
InChIKeySWVIBRRWXWVASL-UHFFFAOYSA-N
XLogP3.35
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.08
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-bromo-1-[2-(bromomethyl)-5-(difluoromethyl)phenyl]propan-2-one
CID 131507338
1-bromo-1-[4-(difluoromethyl)-2-methylphenyl]propan-2-one
CID 131294022
2-amino-2-[5-(difluoromethyl)-2-hydroxyphenyl]acetic acid
CID 84682427
1-bromo-1-[3-(difluoromethyl)-4-iodophenyl]propan-2-one
CID 131491284
1-bromo-1-[3-bromo-4-(difluoromethyl)phenyl]propan-2-one
CID 131555608
1-bromo-1-(2-methyl-5-propan-2-ylphenyl)propan-2-one
CID 116859807
1-chloro-1-[4-(difluoromethyl)-2-hydroxyphenyl]propan-2-one
CID 131394353
4-(1-aminoethyl)-2-(difluoromethyl)phenol
CID 84660904
1-bromo-1-(2-fluoro-4-hydroxyphenyl)propan-2-one
CID 131061546
1-bromo-1-[4-(chloromethyl)-3-(difluoromethyl)phenyl]propan-2-one
CID 131584654
1-bromo-1-[2-(difluoromethyl)-5-ethylphenyl]propan-2-one
CID 131366426
2-(1-aminoethyl)-5-(difluoromethyl)phenol
CID 84660907

Frequently Asked Questions

What is the IUPAC name of 1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one?
The IUPAC name of 1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one (CID 131394364) is 1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one.
What is the SMILES notation for 1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one?
The canonical SMILES for 1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one is CC(=O)C(Br)c1cc(C(F)F)ccc1O.
What is the InChIKey of 1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one?
The InChIKey is SWVIBRRWXWVASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF2O2/c1-5(14)9(11)7-4-6(10(12)13)2-3-8(7)15/h2-4,9-10,15H,1H3.
What are the key properties of 1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one?
1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one has a molecular weight of 279.08 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-1-[5-(difluoromethyl)-2-hydroxyphenyl]propan-2-one is sourced from PubChem (CID 131394364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).